N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide

C14H15N3O2 — CID 6481017

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)cc(C)n2)c(O)c1
InChIInChI=1S/C14H15N3O2/c1-8-4-5-11(12(18)6-8)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19)
InChIKeyTVYXRVMITITGPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.36
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 6481017) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide
PubChem CID6481017
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)cc(C)n2)c(O)c1
InChIInChI=1S/C14H15N3O2/c1-8-4-5-11(12(18)6-8)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19)
InChIKeyTVYXRVMITITGPO-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide (CID 6481017) is N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(C)cc(C)n2)c(O)c1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is TVYXRVMITITGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-5-11(12(18)6-8)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 6481017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).